(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone

C15H28N2O — CID 63130238

IUPAC(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1CCCN(C(=O)C2(CC)CCCNC2)C1
InChIInChI=1S/C15H28N2O/c1-3-13-7-5-10-17(11-13)14(18)15(4-2)8-6-9-16-12-15/h13,16H,3-12H2,1-2H3
InChIKeyOOBPBIAVRHTFTG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone

(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 63130238) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID63130238
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1CCCN(C(=O)C2(CC)CCCNC2)C1
InChIInChI=1S/C15H28N2O/c1-3-13-7-5-10-17(11-13)14(18)15(4-2)8-6-9-16-12-15/h13,16H,3-12H2,1-2H3
InChIKeyOOBPBIAVRHTFTG-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 63131367
ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
CID 63132317
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(3-ethylpiperidin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199172
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224848
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone (CID 63130238) is (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone is CCC1CCCN(C(=O)C2(CC)CCCNC2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is OOBPBIAVRHTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-13-7-5-10-17(11-13)14(18)15(4-2)8-6-9-16-12-15/h13,16H,3-12H2,1-2H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 63130238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).